UCSF

ZINC34363114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.41 4.04 -43.84 2 4 1 38 195.29 4
Mid Mid (pH 6-8) -0.41 4.55 -81.29 3 4 2 39 196.298 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )